Molecule FYI-1002226

A

Molecule Summary:

ID: FYI-1002226
Names:
InChIKey: RJNJNLPEYZFHEL-HKWRFOASSA-N
SMILES: CC5=C(C(N)=O)C(c1ccccc1)=C(C=c3c(=O)[nH]c4ccc(F)c(c2ccccc2)c34)C5

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002226 Edit

Molecule Structure InChIKey: RJNJNLPEYZFHEL-HKWRFOASSA-N

Molecule Structure SMILES String: CC5=C(C(N)=O)C(c1ccccc1)=C(C=c3c(=O)[nH]c4ccc(F)c(c2ccccc2)c34)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002226
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4708    5.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9396    8.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090    6.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6 23  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002226-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
    0.9261    0.0511   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144    0.1007   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863    1.1278   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    2.5529   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    3.4890   -0.5278 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    2.8990    0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6557    0.5913   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9085    1.3625   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5326    1.6898   -1.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376    2.3974   -1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6884    2.5009    1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    1.7855    1.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -0.7662    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334   -1.6853    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863   -2.9778   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7094   -3.7934    0.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8362   -4.9815   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180   -5.9532    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677   -5.6249   -0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2376   -4.4515   -1.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
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 33 54  1  0  0  0  0
M  END
$$$$

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2023-02-28, 2835👍, 0💬